0844-0106 Screening compound: dimethyl[2-(6-nitro-1H-indol-3-yl)ethyl]azanium

0844-0106 Screening compound: dimethyl[2-(6-nitro-1H-indol-3-yl)ethyl]azanium
0844-0106 Screening compound: dimethyl[2-(6-nitro-1H-indol-3-yl)ethyl]azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0844-0106
dimethyl[2-(6-nitro-1H-indol-3-yl)ethyl]azanium

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0844-0106

Molecular Formula

C12H16N3O2 (C12 H16 N3 O2)

Compound Name

dimethyl[2-(6-nitro-1H-indol-3-yl)ethyl]azanium

IUPAC name

dimethyl[2-(6-nitro-1H-indol-3-yl)ethyl]azanium

SMILES

C[NH+](C)CCc1c[nH]c2c1ccc([N+]([O-])=O)c2

InChI

InChI=1S/C12H15N3O2/c1-14(2)6-5-9-8-13-12-7-10(15(16)17)3-4-11(9)12/h3-4,7-8,13H,5-6H2,1-2H3/p+1

InChI Key

NLAFXNOBKQIABX-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00992926

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

234.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.77

Polar Surface Area

47.356

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0844-0106 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0844-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0844-0106?
Check Price and Availability of 0844-0106, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0844-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0844-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0844-0106
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0844-0106 available by request